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Related Concept Videos

IR Frequency Region: Fingerprint Region01:03

IR Frequency Region: Fingerprint Region

IR spectra are divided into two main regions: the diagnostic region and the fingerprint region. The diagnostic region of the spectrum lies above 1500 cm−1. The absorptions resulting from single-bond vibrations of the N–H, C–H, and O–H stretch at higher wavenumbers and appear on the left side of the spectrum. The stretching absorptions of the C≡C and C≡N occur between 2100–2300 cm−1. In contrast, those arising from stretching absorptions of the C=O, C=N, and C=C occur between 1600–1850 cm−1.
The...
Infrared (IR) Spectroscopy: Overview01:09

Infrared (IR) Spectroscopy: Overview

When electromagnetic radiation passes through a material, atoms or molecules transition from a lower to a higher energy state by absorbing radiation corresponding to the energy difference between the two states. The absorption of infrared (IR) radiation causes transitions between vibrational energy levels in a molecule. Therefore, IR spectroscopy is a useful analytical tool for determining the molecular structure of molecules.
Different compounds display unique properties due to their...
IR and UV–Vis Spectroscopy of Carboxylic Acids01:28

IR and UV–Vis Spectroscopy of Carboxylic Acids

In IR spectroscopy of carboxylic acids, the C=O bond shows a characteristic band between 1710 and 1760 cm⁻¹, and the O–H bond exhibits a broad band between 2500 and 3300 cm⁻¹.
However, the stretching absorptions for the C=O bond vary depending on the structure of carboxylic acids. The C=O bond of the free carboxylic acids shows a higher stretching frequency, 1760 cm−1, while H-bonded carboxylic acids (dimers) exhibit stretching absorptions at a lower frequency, 1710 cm−1. The C=O bond of the...

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Related Experiment Video

Updated: Jun 23, 2026

Chromatographic Fingerprinting by Template Matching for Data Collected by Comprehensive Two-Dimensional Gas Chromatography
10:14

Chromatographic Fingerprinting by Template Matching for Data Collected by Comprehensive Two-Dimensional Gas Chromatography

Published on: September 2, 2020

Steroid Fingerprinting with Cryogenic Gas-Phase Infrared Spectroscopy.

Caitlin Walton-Doyle1,2, Gurpur Rakesh D Prabhu1,2, Niklas Geue1,2

  • 1Institute of Chemistry and Biochemistry, Freie Universität Berlin, Altensteinstraße 23a, 14195 Berlin, Germany.

ACS Measurement Science Au
|June 22, 2026
PubMed
Summary
This summary is machine-generated.

Differentiating steroid isomers is difficult. Cryogenic infrared spectroscopy, combined with computational methods, successfully distinguishes between similar steroid structures, aiding anti-doping and diagnostics.

Keywords:
density functional theorygas-phase IR spectroscopyion mobilitymetabolitessteroids

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Biological Samples Preparation for Speciation at Cryogenic Temperature using High-Resolution X-Ray Absorption Spectroscopy

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Last Updated: Jun 23, 2026

Chromatographic Fingerprinting by Template Matching for Data Collected by Comprehensive Two-Dimensional Gas Chromatography
10:14

Chromatographic Fingerprinting by Template Matching for Data Collected by Comprehensive Two-Dimensional Gas Chromatography

Published on: September 2, 2020

Biological Samples Preparation for Speciation at Cryogenic Temperature using High-Resolution X-Ray Absorption Spectroscopy
06:00

Biological Samples Preparation for Speciation at Cryogenic Temperature using High-Resolution X-Ray Absorption Spectroscopy

Published on: May 27, 2022

Area of Science:

  • Analytical Chemistry
  • Spectroscopy
  • Computational Chemistry

Background:

  • Steroid structure differentiation is crucial for anti-doping and endocrinology.
  • Isomeric steroids present significant analytical challenges due to subtle structural differences.
  • Existing methods like ion mobility offer limited resolution for closely related steroid isomers.

Purpose of the Study:

  • To develop and apply advanced spectroscopic techniques for differentiating isomeric steroids.
  • To elucidate the gas-phase structures and protonation sites of specific steroid isomers.
  • To showcase the utility of cryogenic infrared spectroscopy for steroid analysis.

Main Methods:

  • Analysis of isomeric corticosteroids (aldosterone, cortisone) and hydroxyprogesterones using ion mobility.
  • Application of cryogenic gas-phase infrared spectroscopy for structural characterization.
  • Utilizing density functional theory to interpret spectroscopic data and predict preferred protonation sites.

Main Results:

  • Ion mobility provided limited differentiation between the analyzed steroid isomers.
  • Cryogenic infrared spectroscopy successfully distinguished between the isomeric steroids.
  • Density functional theory calculations supported experimental findings on protonation, revealing an unusual bicyclic structure for aldosterone.

Conclusions:

  • Cryogenic gas-phase infrared spectroscopy is a powerful tool for steroid isomer differentiation.
  • This technique enhances structural elucidation beyond ion mobility limitations.
  • The findings have implications for improved anti-doping testing and diagnostics of adrenal and congenital disorders.